From 388f9dffae109de18fc1b0176c8c3c03760f9747 Mon Sep 17 00:00:00 2001 From: ConorFWild <41680328+ConorFWild@users.noreply.github.com> Date: Tue, 30 Jan 2024 17:23:42 +0000 Subject: [PATCH] Test new graph cluster conformer site formation approach --- src/xchemalign/aligner.py | 2 ++ 1 file changed, 2 insertions(+) diff --git a/src/xchemalign/aligner.py b/src/xchemalign/aligner.py index ecba0e0..0793238 100644 --- a/src/xchemalign/aligner.py +++ b/src/xchemalign/aligner.py @@ -332,6 +332,8 @@ def _perform_alignments(self, meta): self.logger.info(f"Dataset {dtag} has {len(dataset.ligand_binding_events)} ligand binding events!") self.logger.info(f"Got {len(reference_datasets)} reference datasets") self.logger.info(f"Got {len(new_datasets)} new datasets") + for dtag, dataset in datasets.items(): + self.logger.info(f"{dtag} : {dataset.mtz}") # Get assemblies if source_fs_model: